| CAS Number | 1269294-20-3 |
| Catalog Number | AG000WES(AGN-PC-0WD0C5) |
| Chemical Name | 1H-Pyrazole-5-carboxaldehyde, 1-(2-pyridinyl)- |
| IUPAC Name | 2-pyridin-2-ylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C9H7N3O/c13-7-8-4-6-11-12(8)9-3-1-2-5-10-9/h1-7H |
| InChI Key | VYOIJWOGFKJEMC-UHFFFAOYSA-N |
| MDL Number | MFCD20275394 |
| Molecular Formula | C9H7N3O |
| Molecular Weight | 173.1714 |
| SMILES | O=CC1N(C2=NC=CC=C2)N=CC=1 |
| Synonyms | 1-(pyridin-2-yl)-1H-pyrazole-5-carbaldehyde,
1269294-20-3,
SCHEMBL14698285,
DTXSID30718984,
ZINC72190459,
AKOS022172673,
ACN-000329,
1-pyridin-2-yl-1H-pyrazole-5-carbaldehyde,
AJ-119203,
1-(Pyridin-2-yl);-1H-pyrazole-5-carbaldehyde,
1H-Pyrazole-5-carboxaldehyde, 1-(2-pyridinyl)-,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.175g/mol |
| Monoisotopic Mass | 173.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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